4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine

C19H31NO — CID 66361974

IUPAC4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC1Cc2cc(C)ccc2O1)C(C)C
InChIInChI=1S/C19H31NO/c1-6-9-20-15(5)18(13(2)3)12-17-11-16-10-14(4)7-8-19(16)21-17/h7-8,10,13,15,17-18,20H,6,9,11-12H2,1-5H3
InChIKeyFIGPBTQYOGLQJS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds7

About 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine

4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine (PubChem CID 66361974) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
PubChem CID66361974
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC1Cc2cc(C)ccc2O1)C(C)C
InChIInChI=1S/C19H31NO/c1-6-9-20-15(5)18(13(2)3)12-17-11-16-10-14(4)7-8-19(16)21-17/h7-8,10,13,15,17-18,20H,6,9,11-12H2,1-5H3
InChIKeyFIGPBTQYOGLQJS-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?
The IUPAC name of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine (CID 66361974) is 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine.
What is the SMILES notation for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?
The canonical SMILES for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC1Cc2cc(C)ccc2O1)C(C)C.
What is the InChIKey of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?
The InChIKey is FIGPBTQYOGLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-9-20-15(5)18(13(2)3)12-17-11-16-10-14(4)7-8-19(16)21-17/h7-8,10,13,15,17-18,20H,6,9,11-12H2,1-5H3.
What are the key properties of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine?
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 66361974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).